6-hydroxy-4,5-dimethyl-3-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-isochromen-1-one
| Internal ID | d88ef426-c68d-47db-a3b2-a63acda7449d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 6-hydroxy-4,5-dimethyl-3-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-isochromen-1-one |
| SMILES (Canonical) | CC1C(=C)OC(=O)C2=C(C=C(C(=C12)C)O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CC1C(=C)OC(=O)C2=C(C=C(C(=C12)C)O)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C18H22O9/c1-6-8(3)25-17(24)13-10(4-9(20)7(2)12(6)13)26-18-16(23)15(22)14(21)11(5-19)27-18/h4,6,11,14-16,18-23H,3,5H2,1-2H3 |
| InChI Key | XBDHZSMORLGXLF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-4,5-dimethyl-3-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/184bd140-85e3-11ee-aec5-0bc48bb410bf.jpg "2D Structure of 6-hydroxy-4,5-dimethyl-3-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-isochromen-1-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.03% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.60% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.45% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.20% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.69% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.19% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.27% | 96.21% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.53% | 97.36% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 73081495 |
| LOTUS | LTS0102930 |
| wikiData | Q105324326 |